SCHEMBL1106757

SCHEMBL1106757

O=C(Oc1ccccc1)C1(CCCCCC(O)CCCCCC2(C(=O)Oc3ccccc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TRPA1 O75762 1/20 0.36
POLB P06746 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGDR Q13258 1/20 0.33
CETP P11597 2/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CYP1A2 P05177 1/20 0.33
PRSS1 P07477 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1151009 0.99 ALDH1A1 (0.38) L3MBTL1ALDH1A1CYP4F2CYP4A11TRPA1
SCHEMBL1106794 0.93 L3MBTL1 (0.34) L3MBTL1ALDH1A1CYP4F2CYP4A11TRPA1
SCHEMBL1106731 0.92 L3MBTL1 (0.38) L3MBTL1ALDH1A1CYP4F2CYP4A11POLB
SCHEMBL5903202 0.81 ALDH1A1 (0.46) L3MBTL1ALDH1A1TRPA1POLBTRPV1
SCHEMBL5902320 0.80 ALDH1A1 (0.47) L3MBTL1ALDH1A1POLBMAPK1PKM
SCHEMBL12138689 0.76 ALDH1A1 (0.44) L3MBTL1ALDH1A1POLBPKMLMNA
SCHEMBL1106734 0.75 ALDH1A1 (0.41) L3MBTL1ALDH1A1TRPA1POLBPKM
SCHEMBL14106381 0.75 ALDH1A1 (0.40) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL28232684 0.75 CETP (0.52) CYP4F2CYP4A11POLBCETPPKM
SCHEMBL12138665 0.75 ALDH1A1 (0.45) L3MBTL1ALDH1A1POLBPKMLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402300-B1 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2016-05-25 EP claimed
US-20200189999-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2020-06-18 US disclosed
US-20190084908-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2019-03-21 US disclosed
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2017-03-16 US disclosed
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2017-03-16 US disclosed
US-9452964-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2016-09-27 US disclosed
US-20150344389-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2015-12-03 US disclosed
US-9006290-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-04-14 US disclosed
US-9006290-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-04-14 US disclosed
US-20140235723-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2014-08-21 US disclosed
US-20120035141-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT ESPERION THERAPEUTICS, INC. (US) 2012-02-09 US disclosed
US-20120035141-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT ESPERION THERAPEUTICS, INC. (US) 2012-02-09 US disclosed
US-8067466-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management ESPERION THERAPEUTICS, INC. (US) 2011-11-29 US disclosed
US-8067466-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management ESPERION THERAPEUTICS, INC. (US) 2011-11-29 US disclosed
US-20080249166-A1 Inhibiting hepatic fatty acid and sterol synthesis; use with statins; compounds such as cyclopropyl or cyclobutyl-functional hydroxy-functional alpha,gamma-alkanediacids ESPERION THERAPEUTICS, INC. (US) 2008-10-09 US disclosed
US-20080249166-A1 Inhibiting hepatic fatty acid and sterol synthesis; use with statins; compounds such as cyclopropyl or cyclobutyl-functional hydroxy-functional alpha,gamma-alkanediacids ESPERION THERAPEUTICS, INC. (US) 2008-10-09 US disclosed
US-7405226-B2 e.g. ethyl 11-[1-(t-butoxycarbonyl)cyclopropyl]-2,2-dimethyl-7-oxoundecanoate; peroxisome proliferator activated receptor antagonist; cholesterol reducing, anticarcinogenic, antiinflammatory agent; aging, Alzheimer's Disease, cardiovascular disease, diabetic retinopathy, dyslipidemia, insulin resistance PFIZER INC. (US) 2008-07-29 US disclosed
US-7119221-B2 treating and preventing a variety of diseases and conditions such as aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic retinopathy, dyslipidemia, dyslipoproteinemia, hypertension, impotence, insulin resistance, peroxisome proliferator activated receptor associated disorders ESPERION THERAPEUTICS, INC. (US) 2006-10-10 US disclosed
EP-1597223-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-11-23 EP disclosed
WO-2004067489-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2004-08-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120035141-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT PNLIP, NR1H3, NR1H2 L3MBTL1 3579/4885ALDH1A1 1851/4885CYP4F2 1915/4885
US-20140235723-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 L3MBTL1 3518/4885ALDH1A1 2139/4885CYP4F2 2014/4885
US-20150344389-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 L3MBTL1 3518/4885ALDH1A1 2139/4885CYP4F2 2014/4885
US-20190084908-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 L3MBTL1 3518/4885ALDH1A1 2139/4885CYP4F2 2014/4885
US-20200189999-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 L3MBTL1 3518/4885ALDH1A1 2139/4885CYP4F2 2014/4885
US-20080249166-A1 Inhibiting hepatic fatty acid and sterol synthesis; use with statins; compounds such as cyclopropyl or cyclobutyl-functional hydroxy-functional alpha,gamma-alkanediacids PNLIP, NR1H3, NR1H2 L3MBTL1 3202/4885ALDH1A1 914/4885CYP4F2 713/4885
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 L3MBTL1 3518/4885ALDH1A1 2139/4885CYP4F2 2014/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.